[2-(ethoxymethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone

C18H22N2O2 — CID 72873922

IUPAC[2-(ethoxymethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
SMILESCCOCC1CCCN1C(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C18H22N2O2/c1-3-22-12-14-7-6-10-20(14)18(21)16-11-13(2)19-17-9-5-4-8-15(16)17/h4-5,8-9,11,14H,3,6-7,10,12H2,1-2H3
InChIKeyLARQRHYKMLCZQH-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.18
Rot. Bonds4

About [2-(ethoxymethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone

[2-(ethoxymethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone (PubChem CID 72873922) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is [2-(ethoxymethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[2-(ethoxymethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
PubChem CID72873922
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name[2-(ethoxymethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
SMILESCCOCC1CCCN1C(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C18H22N2O2/c1-3-22-12-14-7-6-10-20(14)18(21)16-11-13(2)19-17-9-5-4-8-15(16)17/h4-5,8-9,11,14H,3,6-7,10,12H2,1-2H3
InChIKeyLARQRHYKMLCZQH-UHFFFAOYSA-N
XLogP3.18
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 81485630
[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 95329119
(2-chloroquinolin-4-yl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60973317
(2S)-1-(2-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid
CID 92756294
[2-(ethoxymethyl)pyrrolidin-1-yl]-quinoxalin-5-ylmethanone
CID 74245280
[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(methylamino)quinolin-4-yl]methanone
CID 62173431
(2-chloroquinolin-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107877398
[2-(dimethylamino)quinolin-4-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99698521
4-[2-(ethoxymethyl)pyrrolidin-1-yl]-2-methylquinoline-3-carboxamide
CID 173154806
2-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 21061889
[2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119632453
1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 24698090

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxymethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone?
The IUPAC name of [2-(ethoxymethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone (CID 72873922) is [2-(ethoxymethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone.
What is the SMILES notation for [2-(ethoxymethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone?
The canonical SMILES for [2-(ethoxymethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone is CCOCC1CCCN1C(=O)c1cc(C)nc2ccccc12.
What is the InChIKey of [2-(ethoxymethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone?
The InChIKey is LARQRHYKMLCZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-22-12-14-7-6-10-20(14)18(21)16-11-13(2)19-17-9-5-4-8-15(16)17/h4-5,8-9,11,14H,3,6-7,10,12H2,1-2H3.
What are the key properties of [2-(ethoxymethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone?
[2-(ethoxymethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone has a molecular weight of 298.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxymethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone is sourced from PubChem (CID 72873922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).